Geometry & MOs

Info

ID:	73454
PubChem CID:	48417750
Reduced:	SN2O3C22H30 (1)
Stoich.:	AB2C3D22E30 (1)
Weight, g/mol:	412.156912
ΔH_f, kcal/mol:	-125.63
Dipole, Da:	4.51
IP(EA), eV:	-8.71(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-3-(propylsulfonylamino)phenyl]-4-(5-methylpyrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=CC=CC(=C1C)NC(=O)CC2=CC=C(C=C2)CC(C)C

DOS

IR

Vibrations